2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine

C12H25NO2 — CID 63071016

IUPAC2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine
SMILESCCOC(CN)COC1CCCC(C)C1
InChIInChI=1S/C12H25NO2/c1-3-14-12(8-13)9-15-11-6-4-5-10(2)7-11/h10-12H,3-9,13H2,1-2H3
InChIKeyCCULLXCEOKKZKU-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds6

About 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine

2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine (PubChem CID 63071016) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine
PubChem CID63071016
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine
SMILESCCOC(CN)COC1CCCC(C)C1
InChIInChI=1S/C12H25NO2/c1-3-14-12(8-13)9-15-11-6-4-5-10(2)7-11/h10-12H,3-9,13H2,1-2H3
InChIKeyCCULLXCEOKKZKU-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine?
The IUPAC name of 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine (CID 63071016) is 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine is CCOC(CN)COC1CCCC(C)C1.
What is the InChIKey of 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine?
The InChIKey is CCULLXCEOKKZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-14-12(8-13)9-15-11-6-4-5-10(2)7-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine?
2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-methylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 63071016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).